1-(3-methyl-1-phenylbutan-2-yl)-2-(2,2,2-trichloroethyl)benzene

C19H21Cl3 — CID 173340644

IUPAC1-(3-methyl-1-phenylbutan-2-yl)-2-(2,2,2-trichloroethyl)benzene
SMILESCC(C)C(Cc1ccccc1)c1ccccc1CC(Cl)(Cl)Cl
InChIInChI=1S/C19H21Cl3/c1-14(2)18(12-15-8-4-3-5-9-15)17-11-7-6-10-16(17)13-19(20,21)22/h3-11,14,18H,12-13H2,1-2H3
InChIKeyAOCAEVHSWHROGY-UHFFFAOYSA-N
MW355.74 g/mol
LogP6.58
Rot. Bonds5

About 1-(3-methyl-1-phenylbutan-2-yl)-2-(2,2,2-trichloroethyl)benzene

1-(3-methyl-1-phenylbutan-2-yl)-2-(2,2,2-trichloroethyl)benzene (PubChem CID 173340644) has the molecular formula C19H21Cl3 and a molecular weight of 355.74 g/mol. Its IUPAC name is 1-(3-methyl-1-phenylbutan-2-yl)-2-(2,2,2-trichloroethyl)benzene.

Molecular Properties

Compound Name1-(3-methyl-1-phenylbutan-2-yl)-2-(2,2,2-trichloroethyl)benzene
PubChem CID173340644
Molecular FormulaC19H21Cl3
Molecular Weight355.74 g/mol
Exact Mass354.07
IUPAC Name1-(3-methyl-1-phenylbutan-2-yl)-2-(2,2,2-trichloroethyl)benzene
SMILESCC(C)C(Cc1ccccc1)c1ccccc1CC(Cl)(Cl)Cl
InChIInChI=1S/C19H21Cl3/c1-14(2)18(12-15-8-4-3-5-9-15)17-11-7-6-10-16(17)13-19(20,21)22/h3-11,14,18H,12-13H2,1-2H3
InChIKeyAOCAEVHSWHROGY-UHFFFAOYSA-N
XLogP6.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.74
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(3-methyl-1-phenylpentan-2-yl)-2-(2,2,2-trifluoroethyl)benzene
CID 173340690
1-(2,2,2-trifluoroethyl)-2-(1,1,1-trifluoro-3-phenylpropan-2-yl)benzene
CID 91450508
(2-benzyl-3-methylbutyl)benzene
CID 22277918
2,3-dimethylbutylbenzene
CID 12054035
1-benzyl-2-tert-butyl-3-(3-methyl-1-phenylpentan-2-yl)benzene
CID 173254027
1-(1-phenylpropan-2-yl)-2-propylbenzene
CID 18968363
(2S)-2-bromo-3-phenylpropanoyl chloride
CID 87208582
(3-bromo-3-chloro-2-methylpropyl)benzene
CID 69284055
(3-bromo-2,4-dimethylpentyl)benzene
CID 79298231
1-benzyl-2-propan-2-ylbenzene
CID 13215617
2-methyl-3,4-diphenylbutanal
CID 155047824
1-phenylpropan-2-yl bis(2,2,2-trichloroethyl) phosphate
CID 101178571

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1-phenylbutan-2-yl)-2-(2,2,2-trichloroethyl)benzene?
The IUPAC name of 1-(3-methyl-1-phenylbutan-2-yl)-2-(2,2,2-trichloroethyl)benzene (CID 173340644) is 1-(3-methyl-1-phenylbutan-2-yl)-2-(2,2,2-trichloroethyl)benzene.
What is the SMILES notation for 1-(3-methyl-1-phenylbutan-2-yl)-2-(2,2,2-trichloroethyl)benzene?
The canonical SMILES for 1-(3-methyl-1-phenylbutan-2-yl)-2-(2,2,2-trichloroethyl)benzene is CC(C)C(Cc1ccccc1)c1ccccc1CC(Cl)(Cl)Cl.
What is the InChIKey of 1-(3-methyl-1-phenylbutan-2-yl)-2-(2,2,2-trichloroethyl)benzene?
The InChIKey is AOCAEVHSWHROGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl3/c1-14(2)18(12-15-8-4-3-5-9-15)17-11-7-6-10-16(17)13-19(20,21)22/h3-11,14,18H,12-13H2,1-2H3.
What are the key properties of 1-(3-methyl-1-phenylbutan-2-yl)-2-(2,2,2-trichloroethyl)benzene?
1-(3-methyl-1-phenylbutan-2-yl)-2-(2,2,2-trichloroethyl)benzene has a molecular weight of 355.74 g/mol, XLogP of 6.58, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1-phenylbutan-2-yl)-2-(2,2,2-trichloroethyl)benzene is sourced from PubChem (CID 173340644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).